4-chloranyl-N-[3-(dimethylamino)propyl]-2-nitro-benzenecarbothioamide

Systemtic Name: 4-chloranyl-N-[3-(dimethylamino)propyl]-2-nitro-benzenecarbothioamide Openeye Name: 4-chloro-N-[3-(dimethylamino)propyl]-2-nitro-benzenecarbothioamide CAS Name: 4-chloro-N-[3-(dimethylamino)propyl]-2-nitrobenzenecarbothioamide IUPAC Name: 4-chloro-N-[3-(dimethylamino)propyl]-2-nitrobenzenecarbothioamide Traditional Name: 4-chloro-N-[3-(dimethylamino)propyl]-2-nitro-thiobenzamide Formula: C12H16ClN3O2S MolecularWeight: 301.79234

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNC(=S)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H16ClN3O2S/c1-15(2)7-3-6-14-12(19)10-5-4-9(13)8-11(10)16(17)18/h4-5,8H,3,6-7H2,1-2H3,(H,14,19)